Monomers
1-Octene
Identifiers
IUPAC name
oct-1-ene
InchI
InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3
InchI Key
KWKAKUADMBZCLK-UHFFFAOYSA-N
SMILES
CCCCCCC=C
Canonical SMILES
CCCCCCC=C
Isomeric SMILES
CCCCCCC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H16
Heavy Atom Count
8
Molecular Weight
112.216
Exact Molecular Weight
112.1252
Valence Electrons
48
Radical Electrons
0
tPSA
0.0
MolLogP
3.1428
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
24 23 0 0 0 0 0 0 0 0999 V2000
-3.1029 0.9639 -0.4503 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1293 -0.0946 -0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0794 0.4640 0.9316 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1178 -0.6038 1.3682 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6205 -1.2414 0.2314 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4452 -0.2859 -0.5715 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4849 0.4019 0.2096 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7820 0.3059 -0.0676 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8235 0.5459 -1.1499 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6653 1.3139 0.4482 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5220 1.8023 -0.8958 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6324 -0.5086 -0.9135 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6678 -0.8974 0.5411 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6344 0.7863 1.8555 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6052 1.3570 0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7490 -1.4220 1.8273 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5371 -0.2603 2.1932 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3118 -1.9943 0.6663 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0881 -1.7481 -0.4243 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8450 0.4809 -1.0999 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9560 -0.8739 -1.3631 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2108 1.0220 1.0551 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5459 0.7977 0.4886 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0782 -0.3114 -0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 2 3
1 9 1 0
1 10 1 0
1 11 1 0
2 12 1 0
2 13 1 0
3 14 1 0
3 15 1 0
4 16 1 0
4 17 1 0
5 18 1 0
5 19 1 0
6 20 1 0
6 21 1 0
7 22 1 0
8 23 1 0
8 24 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers